Browsing Mathematical Modelling with Multidisciplinary Applications (M3A) by Title
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A Machine Learning Approach to Predict Metabolic Pathway Dynamics from Time Series Multiomics Data
(npj Systems Biology and Applications, 201805)New synthetic biology capabilities hold the promise of dramatically improving our ability to engineer biological systems. However, a fundamental hurdle in realizing this potential is our inability to accurately predict ... 
Manipulation of single electron spin in a GaAs quantum dot through the application of geometric phases: The Feynman disentangling technique
(Physical Review B  Condensed Matter and Materials Physics, 20101231)The spin of a single electron in an electrically defined quantum dot in a twodimensional electron gas can be manipulated by moving the quantum dot adiabatically in a closed loop in the twodimensional plane under the ... 
Mathematical modelling as a tool to understand cell selfrenewal and differentiation
(Methods in Molecular Biology, 20160101)Mathematical modeling is a powerful technique to address key questions and paradigms in a variety of complex biological systems and can provide quantitative insights into cell kinetics, fate determination and development ... 
Maximal regularity in $l_p$ spaces for discrete time fractional shifted equations
(Journal of Differential Equations, 20170501)In this paper, we are presenting a new method based on operatorvalued Fourier multipliers to \ characterize the existence and uniqueness of $\ell_p$solutions for discrete time fractional models in the form $$ ... 
Mechanism of hydrogen production via water splitting on 3CSiC's different surfaces: A firstprinciples study
(Computational Materials Science, 20141231)The reaction mechanism of producing hydrogen via water splitting on the different surfaces of cubic silicon carbide (3CSiC), the adsorption energy and the activation energy have been studied here by using density functional ... 
MesoGSHMC: A stochastic algorithm for mesoscale constant temperature simulations
(Procedia Computer Science, 20111231)We consider the problem of timestepping/sampling for molecular and mesoscale particle dynamics. The aim of the work is to derive numerical timestepping methods that generate samples exactly from the desired target ... 
Microstructures of constrained shape memory alloy nanowires under thermal effects
(ASME 2010 Conference on Smart Materials, Adaptive Structures and Intelligent Systems, SMASIS 2010, 20101231)In this paper, martensitic transformations in constrained FePd nanowires are studied using a mesoscopic model analyzed in detail numerically in our earlier papers. The dynamics of squaretorectangular transformation is ... 
Modeling cardiac structural heterogeneity via spacefractional differential equations
(Computational and Mathematical Biomedical Engineering (CMBE2017) Proceedings, 2017)We discuss here the use of nonlocal models in space and fractional order operators in the characterisation of structural complexity and the modeling of propagation in heterogeneous biological tissues. In the specific, we ... 
Modelling Cortical Spreading Depression by a computational algorithm of distributed neural excitability: correlation with clinical features in single migraine with aura patients
(Journal of Headache and Pain 18 (Suppl. 1), 2017) 
Modelling of Thermal Sterilization of highmoisture snack foods: feasibility analysis and optimization
(Food and Bioprocess Technology, 201801)Highmoisture snacks, such as steamed buns and rice cakes, are traditional and popular in Asian countries. However, their shelf life is short, primarily due to microbial spoilage. Current manufacturing methods address this ... 
Molecular dynamics simulations of iron and aluminumloaded serum transferrin: Protonation of tyr188 is necessary to prompt metal release
(Biochemistry, 20121231)Serum transferrin (sTf) carries iron in blood serum and delivers it into cells by receptormediated endocytosis. The protein can also bind other metals, including aluminum. The crystal structures of the metalfree and ... 
Molecular dynamics study on diamond nanowires mechanical properties: Strain rate, temperature and size dependent effects
(Diamond and Related Materials, 20111231)Using molecular dynamics simulations, strain rate, temperature and size dependent mechanical properties of < 001 > orientation diamond nanowires are investigated. It is found that, for the same crosssectional areas, ... 
Molecular dynamics study on ZnO nanowires mechanical properties: Strain rate, temperature and size dependent effects
(Journal of Computational and Theoretical Nanoscience, 20121231)Using molecular dynamics simulations, strain rate, temperature, size and orientation dependent mechanical properties of zinc oxide (ZnO) nanowire are carried out with tensile loading. It is found that, for the same ... 
Monotone iterative techniques to SIRS epidemic models with nonlinear incidence rates and distributed delays
(Nonlinear Analysis: Real World Applications, 20111231)In this paper, for SIRS epidemic models with a class of nonlinear incidence rates and distributed delays of the forms βS(t)∫0hk(τ)G(I(tτ) )dτ, we establish the global asymptotic stability of the diseasefree equilibrium ... 
MultiGGS groups have the congruence subgroup property
(Proceedings of the Edinburgh Mathematical Society, 20181108)We generalize the result about the congruence subgroup property for GGSgroups to the family of multiGGSgroups; that is, all multiGGSgroups except the one defined by the constant vector have the congruence subgroup ... 
Multistage splitting integrators for sampling with modified Hamiltonian Monte Carlo methods
(Journal of Computational Physics, 20180717)Modified Hamiltonian Monte Carlo (MHMC) methods combine the ideas behind two popular sampling approaches: Hamiltonian Monte Carlo (HMC) and importance sampling. As in the HMC case, the bulk of the computational cost of ... 
Multipletimestepping generalized hybrid Monte Carlo methods
(Journal of Computational Physics, 20141231)Performance of the generalized shadow hybrid Monte Carlo (GSHMC) method [1], which proved to be superior in sampling efficiency over its predecessors [24], molecular dynamics and hybrid Monte Carlo, can be further improved ... 
Multiscale simulations of the antimicrobial peptide maculatin 1.1: Water permeation through disordered aggregates
(Journal of Physical Chemistry B, 20121231)The antimicrobial peptide maculatin 1.1 (M1.1) is an amphipathic αhelix that permeabilizes lipid bilayers. In coarsegrained molecular dynamics (CG MD) simulations, M1.1 has previously been shown to form membranespanning ... 
No Time at the End of the Tunnel
(Communications Physics – Nature, 20180821)Modern attosecond experiments seek to provide an insight into a long standing question: “how much time does a tunnelling particle spend in the barrier?” Traditionally, quantum theory relates this duration to the delay ... 
NonMarkovian models of the growth of a polymer chain
(Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 20151231)Using simple exactly solvable models, we show that eventdependent time delays may lead to significant nonPoisson effects in the statistics of polymer chain growth. The results are confirmed by stochastic simulation of ...